(2R,5S)-1-[2-[(1-benzylcyclobutyl)amino]acetyl]pyrrolidine-2,5-dicarbonitrile

C19H22N4O — CID 11516000

IUPAC(2R,5S)-1-[2-[(1-benzylcyclobutyl)amino]acetyl]pyrrolidine-2,5-dicarbonitrile
SMILESN#C[C@@H]1CC[C@H](C#N)N1C(=O)CNC1(Cc2ccccc2)CCC1
InChIInChI=1S/C19H22N4O/c20-12-16-7-8-17(13-21)23(16)18(24)14-22-19(9-4-10-19)11-15-5-2-1-3-6-15/h1-3,5-6,16-17,22H,4,7-11,14H2/t16-,17+
InChIKeyGBMAMEZWHPXWQQ-CALCHBBNSA-N
MW322.41 g/mol
LogP2.15
Rot. Bonds5

About (2R,5S)-1-[2-[(1-benzylcyclobutyl)amino]acetyl]pyrrolidine-2,5-dicarbonitrile

(2R,5S)-1-[2-[(1-benzylcyclobutyl)amino]acetyl]pyrrolidine-2,5-dicarbonitrile (PubChem CID 11516000) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is (2R,5S)-1-[2-[(1-benzylcyclobutyl)amino]acetyl]pyrrolidine-2,5-dicarbonitrile.

Molecular Properties

Compound Name(2R,5S)-1-[2-[(1-benzylcyclobutyl)amino]acetyl]pyrrolidine-2,5-dicarbonitrile
PubChem CID11516000
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name(2R,5S)-1-[2-[(1-benzylcyclobutyl)amino]acetyl]pyrrolidine-2,5-dicarbonitrile
SMILESN#C[C@@H]1CC[C@H](C#N)N1C(=O)CNC1(Cc2ccccc2)CCC1
InChIInChI=1S/C19H22N4O/c20-12-16-7-8-17(13-21)23(16)18(24)14-22-19(9-4-10-19)11-15-5-2-1-3-6-15/h1-3,5-6,16-17,22H,4,7-11,14H2/t16-,17+
InChIKeyGBMAMEZWHPXWQQ-CALCHBBNSA-N
XLogP2.15
TPSA79.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-1-[2-[(1-benzylcyclobutyl)amino]acetyl]pyrrolidine-2,5-dicarbonitrile?
The IUPAC name of (2R,5S)-1-[2-[(1-benzylcyclobutyl)amino]acetyl]pyrrolidine-2,5-dicarbonitrile (CID 11516000) is (2R,5S)-1-[2-[(1-benzylcyclobutyl)amino]acetyl]pyrrolidine-2,5-dicarbonitrile.
What is the SMILES notation for (2R,5S)-1-[2-[(1-benzylcyclobutyl)amino]acetyl]pyrrolidine-2,5-dicarbonitrile?
The canonical SMILES for (2R,5S)-1-[2-[(1-benzylcyclobutyl)amino]acetyl]pyrrolidine-2,5-dicarbonitrile is N#C[C@@H]1CC[C@H](C#N)N1C(=O)CNC1(Cc2ccccc2)CCC1.
What is the InChIKey of (2R,5S)-1-[2-[(1-benzylcyclobutyl)amino]acetyl]pyrrolidine-2,5-dicarbonitrile?
The InChIKey is GBMAMEZWHPXWQQ-CALCHBBNSA-N. The full InChI is InChI=1S/C19H22N4O/c20-12-16-7-8-17(13-21)23(16)18(24)14-22-19(9-4-10-19)11-15-5-2-1-3-6-15/h1-3,5-6,16-17,22H,4,7-11,14H2/t16-,17+.
What are the key properties of (2R,5S)-1-[2-[(1-benzylcyclobutyl)amino]acetyl]pyrrolidine-2,5-dicarbonitrile?
(2R,5S)-1-[2-[(1-benzylcyclobutyl)amino]acetyl]pyrrolidine-2,5-dicarbonitrile has a molecular weight of 322.41 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-1-[2-[(1-benzylcyclobutyl)amino]acetyl]pyrrolidine-2,5-dicarbonitrile is sourced from PubChem (CID 11516000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).